BSc3956 | 1204407-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: BSc3956
• 英文别名: (E)-2-(9-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonyl)-9H-carbazol-2-yloxy)acetic acid
• CAS: 1204407-32-8
• 化学式: C₂₈H₂₄N₄O₅S
• 分子量: 528.588
• InChiKey: RKRSTYBMLMQCOQ-QVIHXGFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  113.56
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  BSc4027 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到BSc3956
  参考文献：
  名称：

  NSAID-derived γ-secretase modulators. Part III: Membrane anchoring

  摘要：

  Selective lowering of A beta(42) levels with small-molecule substrate targeting c-secretase modulators (sGSMs), such as some non-steroidal anti-inflammatory drugs, is a promising therapeutic approach for Alzheimer's disease. Here we present N-substituted carbazole-and O-substituted fenofibrate-derived sGSMs and their activity data. Seven out of 19 screened compounds exhibited promising activity against A beta(42) secretion at a low micromolar level. We presume that the sGSMs interact with lys624 at the membrane interface and that the lipophilic substituents anchor the compound orientation in the membrane. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.035

文献信息

• NSAID-derived γ-secretase modulators. Part III: Membrane anchoring
  作者：Stefanie Baumann、Nicole Höttecke、Robert Schubenel、Karlheinz Baumann、Boris Schmidt

  DOI：10.1016/j.bmcl.2009.10.035

  日期：2009.12

  Selective lowering of A beta(42) levels with small-molecule substrate targeting c-secretase modulators (sGSMs), such as some non-steroidal anti-inflammatory drugs, is a promising therapeutic approach for Alzheimer's disease. Here we present N-substituted carbazole-and O-substituted fenofibrate-derived sGSMs and their activity data. Seven out of 19 screened compounds exhibited promising activity against A beta(42) secretion at a low micromolar level. We presume that the sGSMs interact with lys624 at the membrane interface and that the lipophilic substituents anchor the compound orientation in the membrane. (C) 2009 Elsevier Ltd. All rights reserved.